2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine

C21H23NO3S — CID 27652368

IUPAC2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine
SMILESCOc1ccc2cc(CN(C)CCS(=O)(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C21H23NO3S/c1-22(12-13-26(23,24)21-6-4-3-5-7-21)16-17-8-9-19-15-20(25-2)11-10-18(19)14-17/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyUZFHHTMDPXWVGS-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.75
Rot. Bonds7

About 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine

2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine (PubChem CID 27652368) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine
PubChem CID27652368
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC Name2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine
SMILESCOc1ccc2cc(CN(C)CCS(=O)(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C21H23NO3S/c1-22(12-13-26(23,24)21-6-4-3-5-7-21)16-17-8-9-19-15-20(25-2)11-10-18(19)14-17/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyUZFHHTMDPXWVGS-UHFFFAOYSA-N
XLogP3.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine?
The IUPAC name of 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine (CID 27652368) is 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine is COc1ccc2cc(CN(C)CCS(=O)(=O)c3ccccc3)ccc2c1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine?
The InChIKey is UZFHHTMDPXWVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-22(12-13-26(23,24)21-6-4-3-5-7-21)16-17-8-9-19-15-20(25-2)11-10-18(19)14-17/h3-11,14-15H,12-13,16H2,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine?
2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine has a molecular weight of 369.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 27652368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).